CID 88745

20980-17-0

Structural Information

Molecular Formula
C31H35N5
SMILES
CN(C)C1=NC(=NC=C1)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H35N5/c1-34(2)29-18-20-32-30(33-29)36-24-22-35(23-25-36)21-19-31(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-18,20H,19,21-25H2,1-2H3
InChIKey
AXVBJXVSFUOBFI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.28925 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.29653 220.4
[M+Na]+ 500.27847 221.1
[M-H]- 476.28197 228.8
[M+NH4]+ 495.32307 220.3
[M+K]+ 516.25241 212.5
[M+H-H2O]+ 460.28651 203.4
[M+HCOO]- 522.28745 231.7
[M+CH3COO]- 536.30310 224.3
[M+Na-2H]- 498.26392 223.2
[M]+ 477.28870 214.6
[M]- 477.28980 214.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.